Mrv1652309122217352D 27 32 0 0 1 0 999 V2000 1.9041 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 -0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 0.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 1.1546 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9693 1.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 1.2974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9458 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 2.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 0.7423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1134 0.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7643 -0.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5461 -0.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8598 -0.2477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6040 0.3210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8834 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4248 1.0103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2910 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -0.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 0.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9219 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 12 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 1 0 0 0 M END > NP0330343 > NP-MRD > CC1=CC(=O)[C@@]2(O)[C@]3(C)[C@H]4C(=O)[C@]2(O)[C@]2(C)[C@@H]5CC(=O)OC(C[C@]132)C45CO > InChI=1S/C20H22O7/c1-8-4-10(22)19(25)16(3)13-14(24)20(19,26)15(2)9-5-12(23)27-11(6-18(8,15)16)17(9,13)7-21/h4,9,11,13,21,25-26H,5-7H2,1-3H3/t9-,11?,13+,15+,16+,17?,18+,19+,20-/m0/s1 > QUDGSOQXSJGXMH-UHIUOQOBSA-N > C20H22O7 > 374.389 > 374.136553048 > 6 > 49 > 31.676078292142932 > 1 > 3 > 0 > 0 > (1S,2R,3R,7R,13R,14R,15S)-3,15-dihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.0^{2,7}.0^{3,15}.0^{7,14}.0^{13,17}]heptadec-5-ene-4,11,16-trione > -0.9463190383333331 > 0 > 6 > 0 > 12.316391173216864 > 10.613934129978665 > -2.8016288694418057 > 121.13000000000001 > 89.97859999999999 > 1 > 1 > (1S,2R,3R,7R,13R,14R,15S)-3,15-dihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.0^{2,7}.0^{3,15}.0^{7,14}.0^{13,17}]heptadec-5-ene-4,11,16-trione > 0 > NP0330343 > (1s,2r,3r,7r,13r,14r,15s)-3,15-dihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxahexacyclo[7.7.1.0²,⁷.0³,¹⁵.0⁷,¹⁴.0¹³,¹⁷]heptadec-5-ene-4,11,16-trione $$$$